UCSF

ZINC38590197

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.22 9.26 -51.31 2 5 1 46 453.788 6
Mid Mid (pH 6-8) 4.22 7.05 -10.13 1 5 0 45 452.78 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )